CDAT Migration Phase 2: Refactor core utilities and lat_lon set (#677)

Refer to the PR for more information because the changelog is massive.

auxiliary_tools/cdat_regression_test.py

@@ -0,0 +1,171 @@
+# %%
+"""
+This script checks for regressions between the refactored and `main` branches
+of a diagnostic set.
+
+How it works
+------------
+  It compares the absolute and relative differences between two sets of
+  `.json` files in two separate directories, one for the refactored code
+  and the other for the `main` branch. This script will generate an Excel file
+  containing:
+    1. The raw metrics by each branch for each variable.
+    2. The absolute and relative differences of each variable between branches.
+    3. The highest relative differences (threshold > 2% difference)
+
+How to use
+-----------
+    1. mamba env create -f conda/dev-yml -n e3sm_diags_dev_<gh-issue-#>
+    2. mamba activate e3sm_diags_dev_<gh-issue-#>
+    3. Update `DEV_PATH` and `PROD_PATH` in `/auxiliary_tools/cdat_regression_test.py`
+    4. python auxiliary_tools/cdat_regression_test.py
+    5. Excel file generated in `/auxiliary_tools`
+
+Tips
+-----------
+Relative differences should be taken into consideration moreso than absolute
+differences.
+  - Relative differences show the scale using a percentage unit.
+  - Absolute differences is just a raw number that doesn't factor in
+    floating point size (e.g., 100.00 vs. 0.0001), which can be misleading.
+"""
+import glob
+import logging
+import os
+import time
+from typing import List
+
+import pandas as pd
+
+log_format = (
+    "%(asctime)s [%(levelname)s]: %(filename)s(%(funcName)s:%(lineno)s) >> %(message)s"
+)
+logging.basicConfig(format=log_format, filemode="w", level=logging.INFO)
+logger = logging.getLogger(__name__)
+
+# TODO: Update DEV_RESULTS and PROD_RESULTS.
+# ------------------------------------------------------------------------------
+DEV_PATH = "/global/cfs/cdirs/e3sm/www/vo13/examples_658/ex1_modTS_vs_modTS_3years/lat_lon/model_vs_model"
+PRO_PATH = "/global/cfs/cdirs/e3sm/www/vo13/examples/ex1_modTS_vs_modTS_3years/lat_lon/model_vs_model"
+# ------------------------------------------------------------------------------
+
+if not os.path.exists(DEV_PATH):
+    raise ValueError(f"DEV_RESULTS path does not exist ({DEV_PATH})")
+if not os.path.exists(PRO_PATH):
+    raise ValueError(f"PROD_RESULTS path does not exist ({PRO_PATH})")
+
+DEV_GLOB = sorted(glob.glob(DEV_PATH + "/*.json"))
+PROD_GLOB = sorted(glob.glob(PRO_PATH + "/*.json"))
+
+TIME_STR = time.strftime("%Y%m%d-%H%M%S")
+EXCEL_FILENAME = f"{TIME_STR}-metrics-diffs.xlsx"
+
+
+def get_metrics(filepaths: List[str]) -> pd.DataFrame:
+    """Get the metrics using a glob of `.json` metric files in a directory.
+
+    Parameters
+    ----------
+    filepaths : List[str]
+        The filepaths for metrics `.json` files.
+
+    Returns
+    -------
+    pd.DataFrame
+        The DataFrame containing the metrics for all of the variables in
+        the results directory.
+    """
+    metrics = []
+
+    for filepath in filepaths:
+        df = pd.read_json(filepath)
+
+        filename = filepath.split("/")[-1]
+        var_key = filename.split("-")[1]
+
+        # Add the variable key to the MultiIndex and update the index
+        # before stacking to make the DataFrame easier to parse.
+        multiindex = pd.MultiIndex.from_product([[var_key], [*df.index]])
+        df = df.set_index(multiindex)
+        df.stack()
+
+        metrics.append(df)
+
+    df_final = pd.concat(metrics)
+
+    # Reorder columns and drop "unit" column (string dtype breaks Pandas
+    # arithmetic).
+    df_final = df_final[["test", "ref", "test_regrid", "ref_regrid", "diff", "misc"]]
+
+    return df_final
+
+
+def get_diffs(df_a: pd.DataFrame, df_b: pd.DataFrame) -> pd.DataFrame:
+    """The metrics differences between two DataFrames.
+
+    Parameters
+    ----------
+    df_a : pd.DataFrame
+        The first DataFrame representing "actual" results (aka development).
+    df_b : pd.DataFrame
+        The second DataFrame representing "reference" results (aka production).
+
+    Returns
+    -------
+    pd.DataFrame
+        The DataFrame containing absolute and relative differences between
+        the metrics DataFrames.
+    """
+    #  Absolute difference: abs(actual - reference)
+    df_abs = abs(df_a - df_b)
+    df_abs = df_abs.add_suffix("_abs")
+
+    # Relative difference: abs(actual - reference) / abs(actual)
+    df_rel = abs(df_a - df_b) / abs(df_a)
+    df_rel = df_rel.add_suffix("_rel")
+
+    # Combine both DataFrames
+    df_final = pd.concat([df_abs, df_rel], axis=1, join="outer")
+
+    return df_final
+
+
+# %% Get the metrics DataFrames.
+df_dev = get_metrics(DEV_GLOB)
+df_prod = get_metrics(PROD_GLOB)
+
+# %% Combine metrics DataFrames.
+df_dev_pref = df_dev.add_prefix("dev_")
+df_prod_pref = df_prod.add_prefix("prod_")
+df_metrics = pd.concat([df_dev_pref, df_prod_pref], axis=1, join="outer")
+#%%
+# Sort the columns
+df_metrics = df_metrics[
+    [
+        "dev_test",
+        "prod_test",
+        "dev_ref",
+        "prod_ref",
+        "dev_test_regrid",
+        "prod_test_regrid",
+        "dev_ref_regrid",
+        "prod_ref_regrid",
+        "dev_diff",
+        "prod_diff",
+        "dev_misc",
+        "prod_misc",
+    ]
+]
+
+# %% Get differences between metrics.
+df_diffs = get_diffs(df_dev, df_prod)
+
+
+#%%
+with pd.ExcelWriter(EXCEL_FILENAME) as writer:
+    df_metrics.to_excel(writer, sheet_name="metrics")
+    df_diffs.to_excel(writer, sheet_name="metric_diffs")
+
+
+# %% Only get the metrics where the absolute and relative differences are
+# greater than a specific threshold (>1%)

conda-env/ci.yml

@@ -26,9 +26,14 @@ dependencies:
   - numpy >=1.23.0
   - shapely >=2.0.0,<3.0.0
   - xarray >=2023.02.0
+<<<<<<< HEAD
   - xcdat >=0.6.0
   - xesmf >=0.7.0
   - xskillscore >=0.0.20
+=======
+  - xcdat >=0.5.0
+  - xesmf >=0.7.0
+>>>>>>> 33dbaf28 (CDAT Migration Phase 2: Refactor core utilities and  `lat_lon` set (#677))
   # Testing
   # ==================
   - scipy

conda-env/dev.yml

@@ -1,6 +1,7 @@
 # Conda development environment for testing local source code changes to `e3sm_diags` before merging them to production (`master` branch).
 name: e3sm_diags_dev
 channels:
+  - conda-forge/label/xcdat_dev
   - conda-forge
   - defaults
 dependencies:
@@ -24,9 +25,15 @@ dependencies:
   - numpy >=1.23.0
   - shapely >=2.0.0,<3.0.0
   - xarray >=2023.02.0
+<<<<<<< HEAD
   - xcdat >=0.6.0
   - xesmf >=0.7.0
   - xskillscore >=0.0.20
+=======
+  - xskillscore >=0.0.20
+  - xcdat==0.6.0rc1
+  - xesmf >=0.7.0
+>>>>>>> 33dbaf28 (CDAT Migration Phase 2: Refactor core utilities and  `lat_lon` set (#677))
   # Testing
   # =======================
   - scipy

e3sm_diags/derivations/derivations.py

@@ -8,9 +8,15 @@
 For example to derive 'PRECT':
   1. In `DERIVED_VARIABLE` there is an entry for 'PRECT'.
   2. The netCDF file does not have a 'PRECT' variable, but has the 'PRECC'
+<<<<<<< HEAD
      and 'PRECT' variables.
   3. 'PRECC' and 'PRECL' are used to derive `PRECT` by passing the
      data for these variables to the formula function 'prect()'.
+=======
+      and 'PRECT' variables.
+  3. 'PRECC' and 'PRECL' are used to derive `PRECT` by passing the 
+  	  data for these variables to the formula function 'prect()'.
+>>>>>>> 33dbaf28 (CDAT Migration Phase 2: Refactor core utilities and  `lat_lon` set (#677))
 """
 from collections import OrderedDict
 from typing import Callable, Dict, Tuple